4-[(4-methylpiperidin-4-yl)methyl]morpholine dihydrochloride

• ChemBase编号: 243278
• 分子式: C11H24Cl2N2O
• 平均质量: 271.22706
• 单一同位素质量: 270.12656876
• SMILES: N1(CC2(CCNCC2)C)CCOCC1.Cl.Cl
• Canonical SMILES: CC1(CCNCC1)CN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2O.2ClH/c1-11(2-4-12-5-3-11)10-13-6-8-14-9-7-13;;/h12H,2-10H2,1H3;2*1H
• InChIKey: IFGBLDSCNKPYFP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(4-methylpiperidin-4-yl)methyl]morpholine dihydrochloride
• IUPAC传统名: 4-[(4-methylpiperidin-4-yl)methyl]morpholine dihydrochloride
• 别名: 4-[(4-methylpiperidin-4-yl)methyl]morpholine dihydrochloride

登记号

• MDL号: MFCD22578637
• PubChem SID: 164299188
• PubChem CID: 71757214

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -5.325962
• LogD (pH = 7.4): -3.079508
• Log P: 0.45402882
• 摩尔折射率: 58.4351 cm^3
• 极化性: 23.27968 Å^3
• 极化表面积: 24.5 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 0.917

产品相关信息

• 纯度: 95%